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Report No.

Middle range inter-molecular orientation correlation of chlorine dioxide as molecular liquid

Shimakura, Hironori; Ogata, Norio*; Kawakita, Yukinobu ; Ohara, Koji*; Kohara, Shinji*; Takeda, Shinichi*

Chlorine dioxide has been used as a disinfectant of drinking water because of strong oxidizing activity against various microbial proteins. Chlorine dioxide has a boiling point of 283 K and a melting point of 214 K, and amber liquid at 273 K with density of 1.64. It is known that, in the solid phase, dimerization occurs due to interaction between Cl and O belonging to the neighboring molecule. Focusing onto the inter-molecular correlations of chlorine dioxide in the liquid state, we have measured high energy X-ray diffraction at 204 K and 273 K and performed reverse Monte Carlo (RMC) structure modeling based on the experimental structural data. In order to distinguish the orientational correlation by intermolecular interaction from the geometrical correlation, we compared the results of full RMC results with the structure model of free packing. As a result, its inter-molecular correlation, especially inter-molecular O-O correlation, becomes weak with increasing temperature.



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